CID 11400739

36982-79-3

Structural Information

Molecular Formula
C4H6N4
SMILES
C1CN=C(N1)NC#N
InChI
InChI=1S/C4H6N4/c5-3-8-4-6-1-2-7-4/h1-2H2,(H2,6,7,8)
InChIKey
AXBVXGOVBIBENC-UHFFFAOYSA-N
Compound name
4,5-dihydro-1H-imidazol-2-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

110.05925 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06653 119.1
[M+Na]+ 133.04847 127.7
[M-H]- 109.05197 118.0
[M+NH4]+ 128.09307 137.4
[M+K]+ 149.02241 126.0
[M+H-H2O]+ 93.056510 105.1
[M+HCOO]- 155.05745 137.6
[M+CH3COO]- 169.07310 178.8
[M+Na-2H]- 131.03392 126.0
[M]+ 110.05870 109.9
[M]- 110.05980 109.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe